N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane

C55H43NOSi — CID 159197890

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
SMILESC.c1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H39NOSi.CH4/c1-5-16-43(17-6-1)55(45-36-30-42(31-37-45)50-25-15-26-52-51-24-13-14-27-53(51)56-54(50)52)44-34-28-40(29-35-44)41-32-38-49(39-33-41)57(46-18-7-2-8-19-46,47-20-9-3-10-21-47)48-22-11-4-12-23-48;/h1-39H;1H4
InChIKeyKOWZQXFYMOZWKL-UHFFFAOYSA-N
MW762.04 g/mol
LogP12.40
Rot. Bonds9

About N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane

N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane (PubChem CID 159197890) has the molecular formula C55H43NOSi and a molecular weight of 762.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
PubChem CID159197890
Molecular FormulaC55H43NOSi
Molecular Weight762.04 g/mol
Exact Mass761.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
SMILESC.c1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H39NOSi.CH4/c1-5-16-43(17-6-1)55(45-36-30-42(31-37-45)50-25-15-26-52-51-24-13-14-27-53(51)56-54(50)52)44-34-28-40(29-35-44)41-32-38-49(39-33-41)57(46-18-7-2-8-19-46,47-20-9-3-10-21-47)48-22-11-4-12-23-48;/h1-39H;1H4
InChIKeyKOWZQXFYMOZWKL-UHFFFAOYSA-N
XLogP12.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.04
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline
CID 123205403
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123846353
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane (CID 159197890) is N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane is C.c1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane?
The InChIKey is KOWZQXFYMOZWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NOSi.CH4/c1-5-16-43(17-6-1)55(45-36-30-42(31-37-45)50-25-15-26-52-51-24-13-14-27-53(51)56-54(50)52)44-34-28-40(29-35-44)41-32-38-49(39-33-41)57(46-18-7-2-8-19-46,47-20-9-3-10-21-47)48-22-11-4-12-23-48;/h1-39H;1H4.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane?
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane has a molecular weight of 762.04 g/mol, XLogP of 12.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane is sourced from PubChem (CID 159197890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).